N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride

C15H26ClN3O4S2 — CID 120896924

IUPACN-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCNCC1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-12(19)17-9-13-3-4-14(23-13)24(20,21)18-10-15(11-22-2)5-7-16-8-6-15;/h3-4,16,18H,5-11H2,1-2H3,(H,17,19);1H
InChIKeyNYDFPMVANVPJQF-UHFFFAOYSA-N
MW411.98 g/mol
LogP1.10
Rot. Bonds8

About N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride

N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 120896924) has the molecular formula C15H26ClN3O4S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID120896924
Molecular FormulaC15H26ClN3O4S2
Molecular Weight411.98 g/mol
Exact Mass411.11
IUPAC NameN-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCNCC1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-12(19)17-9-13-3-4-14(23-13)24(20,21)18-10-15(11-22-2)5-7-16-8-6-15;/h3-4,16,18H,5-11H2,1-2H3,(H,17,19);1H
InChIKeyNYDFPMVANVPJQF-UHFFFAOYSA-N
XLogP1.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120896340
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
CID 120896062
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
ethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate
CID 120896379
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
CID 120896824
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride (CID 120896924) is N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCNCC1.Cl.
What is the InChIKey of N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is NYDFPMVANVPJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2.ClH/c1-12(19)17-9-13-3-4-14(23-13)24(20,21)18-10-15(11-22-2)5-7-16-8-6-15;/h3-4,16,18H,5-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 411.98 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120896924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).